Sugi Predict

Sugi Predict / Compounds / SCHEMBL3856956

SCHEMBL3856956

SCHEMBL3856956

CC(CCN1CCCN(S(C)(=O)=O)CC1)(C(=O)NCc1cccc(OC(F)(F)F)c1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ CARM1 Q86X55 2/20 0.37
▸ PRMT6 Q96LA8 2/20 0.37
▸ GLS O94925 1/20 0.37
▸ PKM P14618 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3865223 0.97 MAPK14 (0.40) ALDH1A1GAAMAPK14CHRM3CARM1
SCHEMBL3856975 0.93 FPR3 (0.43) ALDH1A1GAAL3MBTL1CYP1A2POLB
SCHEMBL3857063 0.92 FPR3 (0.40) ALDH1A1CYP1A2POLBCYP3A4CYP2D6
SCHEMBL3862394 0.89 FPR3 (0.40) ALDH1A1GAAPOLBPKMTACR3
SCHEMBL3856595 0.89 EPHX2 (0.42) ALDH1A1POLBCYP3A4CYP2D6CYP2C19
SCHEMBL3668310 0.88 ENPP2 (0.43) ALDH1A1GAAPOLBTSHRTACR3
SCHEMBL3856447 0.86 CARM1 (0.40) MAPK14CHRM3CARM1PRMT6GLS
SCHEMBL3856442 0.86 CARM1 (0.40) MAPK14CHRM3CARM1PRMT6GLS
SCHEMBL3862397 0.86 CARM1 (0.40) MAPK14CHRM3CARM1PRMT6GLS
SCHEMBL3860793 0.86 PLA2G1B (0.47) ALDH1A1GAACYP1A2POLBCYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592345-B2 Piperazine and [1,4]diazepan derivatives as NK antagonists HOFFMANN-LA ROCHE INC. (US) 2009-09-22 — — US disclosed
US-7592345-B2 Piperazine and [1,4]diazepan derivatives as NK antagonists HOFFMANN-LA ROCHE INC. (US) 2009-09-22 — — US disclosed
US-7592345-B2 Piperazine and [1,4]diazepan derivatives as NK antagonists HOFFMANN-LA ROCHE INC. (US) 2009-09-22 — — US disclosed
US-20080312216-A1 PIPERAZINE AND [1,4]DIAZEPAN DERIVATIVES AS NK ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-12-18 — — US disclosed
US-20080312216-A1 PIPERAZINE AND [1,4]DIAZEPAN DERIVATIVES AS NK ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-12-18 — — US disclosed
US-20080312216-A1 PIPERAZINE AND [1,4]DIAZEPAN DERIVATIVES AS NK ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-12-18 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080312216-A1 PIPERAZINE AND [1,4]DIAZEPAN DERIVATIVES AS NK ANTAGONISTS DRD3, KCND3, GRIN3A ALDH1A1 449/4885GAA 847/4885L3MBTL1 4606/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.